Ethyl 3-acetylbenzoate

Basic Information

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CAS Number

37847-24-8

Molecular Formula

C11H12O3

Molecular Weight

192.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

306.1℃ at 760 mmHg

Density

1.096

Flash Point

133.7℃

Refractive Index

1.512

SMILES

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O=C(OCC)C1=CC=CC(C(C)=O)=C1

InChI

InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-5-9(7-10)8(2)12/h4-7H,3H2,1-2H3

InChIKey

KHTGDCLCPJJWEY-UHFFFAOYSA-N

LogP

2.0659

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

223

Synonyms & References

English

ETHYL 3-ACETYLBENZOATE
3-acetylBenzoic acid ethyl ester
Benzoic acid, 3-acetyl-, ethyl ester
ethyl m-acetylbenzoate
m-ethoxycarbonylacetophenone
ETHYL3-ACETYLBENZOATE
KHTGDCLCPJJWEY-UHFFFAOYSA-N
4845AB
TRA0000928
SY015674
Q63409284

MDL Number

MFCD02261283

FAQ

What is Ethyl 3-acetylbenzoate (CAS: 37847-24-8)?

Ethyl 3-acetylbenzoate (CAS: 37847-24-8) is a derivative of benzoic acid with an acetyl group attached to the 3-position and an ethyl group attached to the carboxylic acid. It is a colorless to yellow liquid with a characteristic aromatic odor. This compound is used in various applications including pharmaceuticals, perfumes, and as a flavoring agent in food.

What are the main uses of Ethyl 3-acetylbenzoate (CAS: 37847-24-8)?

Ethyl 3-acetylbenzoate (CAS: 37847-24-8) is primarily used as a fragrance ingredient in perfumery, as a flavor compound in food products, and in pharmaceuticals for its aromatic and stabilizing properties. It is also utilized in the synthesis of other chemical compounds.

Is Ethyl 3-acetylbenzoate (CAS: 37847-24-8) safe?

Ethyl 3-acetylbenzoate (CAS: 37847-24-8) is considered safe for use in food, cosmetics, and pharmaceuticals when used in accordance with regulatory guidelines. However, it is important to follow safety precautions such as wearing appropriate personal protective equipment and handling in a well-ventilated area to minimize inhalation or skin contact.

How should Ethyl 3-acetylbenzoate (CAS: 37847-24-8) be stored?

Ethyl 3-acetylbenzoate (CAS: 37847-24-8) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. It is best kept at a temperature not exceeding 25°C to maintain its stability. Adequate ventilation should be provided to prevent the accumulation of flammable vapors.